SCHEMBL20307372

SCHEMBL20307372

CC(COCCS(C)(C)C)c1cn(-c2ccnc(N)n2)c2cc(Br)ncc12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 12/20 0.36
TTBK1 Q5TCY1 2/20 0.35
CDK2 P24941 10/20 0.34
ROCK1 Q13464 5/20 0.34
MAP3K14 Q99558 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16610274 0.88 CDC7 (0.37) CDC7TTBK1CDK2ROCK1MAP3K14
SCHEMBL16610446 0.82 CDC7 (0.42) CDC7TTBK1CDK2ROCK1MAP3K14
SCHEMBL16610442 0.72 MAP3K14 (0.46) CDC7TTBK1CDK2ROCK1MAP3K14
SCHEMBL16610230 0.72 ROCK1 (0.47) CDC7TTBK1CDK2ROCK1MAP3K14
SCHEMBL20307364 0.72 HTR6 (0.34)
SCHEMBL16610435 0.72 ROCK1 (0.44) CDC7TTBK1CDK2ROCK1MAP3K14
SCHEMBL16610440 0.71 ROCK1 (0.41) CDC7TTBK1CDK2ROCK1MAP3K14
SCHEMBL16610444 0.70 CDC7 (0.48) CDC7TTBK1CDK2ROCK1MAP3K14
SCHEMBL16610229 0.69 ROCK1 (0.45) CDC7TTBK1CDK2ROCK1MAP3K14
SCHEMBL16610436 0.68 CDC7 (0.61) CDC7TTBK1CDK2ROCK1MAP3K14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005773-B2 1-(4-pyrimidinyl)-1H-pyrrolo[3,2-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10005773-B2 1-(4-pyrimidinyl)-1H-pyrrolo[3,2-c]pyridine derivatives as NIK inhibitors MAP3K14, MAP3K15, MAP3K12 CDC7 620/4885TTBK1 578/4885CDK2 784/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.